SCHEMBL4476091

SCHEMBL4476091

COc1ccc(-c2ccc3c(NC(=O)NCCN4CCNC4=O)n[nH]c3c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.52
HDAC2 Q92769 7/20 0.52
HDAC8 Q9BY41 7/20 0.52
HDAC6 Q9UBN7 3/20 0.52
HPGDS O60760 1/20 0.47
FGFR4 P22455 2/20 0.47
FGFR1 P11362 1/20 0.45
GSK3B P49841 5/20 0.44
FGFR2 P21802 1/20 0.43
FGFR3 P22607 1/20 0.43
FLT3 P36888 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4488579 0.92 HDAC1 (0.55) HDAC1HDAC2HDAC8HDAC6HPGDS
SCHEMBL12886119 0.88 HDAC6 (0.51) HDAC6FGFR4GSK3B
SCHEMBL4495070 0.85 HDAC6 (0.53) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4486921 0.85 HDAC6 (0.55) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL12886064 0.84 AAK1 (0.58) GSK3B
SCHEMBL4491049 0.82 SMN1; SMN2 (0.64) HDAC1HDAC2HDAC8HDAC6
SCHEMBL4559844 0.82 HDAC6 (0.62) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4503672 0.81 HDAC6 (0.61) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4491092 0.81 HDAC6 (0.61) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4502964 0.80 HDAC1 (0.63) HDAC1HDAC2HDAC8HDAC6FGFR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed